2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide

C27H29N3O2 — CID 46037520

IUPAC2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
SMILESO=C(NC1CCN(c2ccccc2C(=O)NCCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C27H29N3O2/c31-26(22-11-5-2-6-12-22)29-23-16-19-30(20-17-23)25-14-8-7-13-24(25)27(32)28-18-15-21-9-3-1-4-10-21/h1-14,23H,15-20H2,(H,28,32)(H,29,31)
InChIKeyQRSDOPNUFNBOJX-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.06
Rot. Bonds7

About 2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide

2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide (PubChem CID 46037520) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
PubChem CID46037520
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
SMILESO=C(NC1CCN(c2ccccc2C(=O)NCCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C27H29N3O2/c31-26(22-11-5-2-6-12-22)29-23-16-19-30(20-17-23)25-14-8-7-13-24(25)27(32)28-18-15-21-9-3-1-4-10-21/h1-14,23H,15-20H2,(H,28,32)(H,29,31)
InChIKeyQRSDOPNUFNBOJX-UHFFFAOYSA-N
XLogP4.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 42847988
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848178
2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037750
2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 93290973
5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 24717040
2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719002
2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide
CID 24719023
2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 42847963
3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide
CID 46037917
N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 46037582
2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide
CID 46037660

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide (CID 46037520) is 2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide is O=C(NC1CCN(c2ccccc2C(=O)NCCc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide?
The InChIKey is QRSDOPNUFNBOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c31-26(22-11-5-2-6-12-22)29-23-16-19-30(20-17-23)25-14-8-7-13-24(25)27(32)28-18-15-21-9-3-1-4-10-21/h1-14,23H,15-20H2,(H,28,32)(H,29,31).
What are the key properties of 2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide?
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide has a molecular weight of 427.55 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 46037520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).